[1-[(1-azanylisoquinolin-6-yl)methylcarbamoyl-(2-naphthalen-1-ylethyl)amino]-3-naphthalen-1-yl-1-oxidanylidene-propan-2-yl]carbamic acid

Systemtic Name: [1-[(1-azanylisoquinolin-6-yl)methylcarbamoyl-(2-naphthalen-1-ylethyl)amino]-3-naphthalen-1-yl-1-oxidanylidene-propan-2-yl]carbamic acid Openeye Name: [2-[(1-amino-6-isoquinolyl)methylcarbamoyl-[2-(1-naphthyl)ethyl]amino]-1-(1-naphthylmethyl)-2-oxo-ethyl]carbamic acid CAS Name: [1-[[[(1-amino-6-isoquinolinyl)methylamino]-oxomethyl]-[2-(1-naphthalenyl)ethyl]amino]-3-(1-naphthalenyl)-1-oxopropan-2-yl]carbamic acid IUPAC Name: [1-[(1-aminoisoquinolin-6-yl)methylcarbamoyl-(2-naphthalen-1-ylethyl)amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]carbamic acid Traditional Name: [2-[(1-amino-6-isoquinolyl)methylcarbamoyl-[2-(1-naphthyl)ethyl]amino]-2-keto-1-(1-naphthylmethyl)ethyl]carbamic acid Formula: C37H33N5O4 MolecularWeight: 611.68902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CCN(C(=O)C(CC3=CC=CC4=CC=CC=C43)NC(=O)O)C(=O)NCC5=CC6=C(C=C5)C(=NC=C6)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CCN(C(=O)C(CC3=CC=CC4=CC=CC=C43)NC(=O)O)C(=O)NCC5=CC6=C(C=C5)C(=NC=C6)N

InChI

InChI=1S/C37H33N5O4/c38-34-32-16-15-24(21-29(32)17-19-39-34)23-40-36(44)42(20-18-27-11-5-9-25-7-1-3-13-30(25)27)35(43)33(41-37(45)46)22-28-12-6-10-26-8-2-4-14-31(26)28/h1-17,19,21,33,41H,18,20,22-23H2,(H2,38,39)(H,40,44)(H,45,46)