(phenylmethyl) N-[3-[(3-azanyl-2-chloranyl-quinolin-4-yl)amino]propyl]carbamate

Systemtic Name: (phenylmethyl) N-[3-[(3-azanyl-2-chloranyl-quinolin-4-yl)amino]propyl]carbamate Openeye Name: benzyl N-[3-[(3-amino-2-chloro-4-quinolyl)amino]propyl]carbamate CAS Name: N-[3-[(3-amino-2-chloro-4-quinolinyl)amino]propyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-[(3-amino-2-chloroquinolin-4-yl)amino]propyl]carbamate Traditional Name: N-[3-[(3-amino-2-chloro-4-quinolyl)amino]propyl]carbamic acid benzyl ester Formula: C20H21ClN4O2 MolecularWeight: 384.85934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCNC2=C(C(=NC3=CC=CC=C32)Cl)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCCNC2=C(C(=NC3=CC=CC=C32)Cl)N

InChI

InChI=1S/C20H21ClN4O2/c21-19-17(22)18(15-9-4-5-10-16(15)25-19)23-11-6-12-24-20(26)27-13-14-7-2-1-3-8-14/h1-5,7-10H,6,11-13,22H2,(H,23,25)(H,24,26)