3-(2-naphthalen-1-ylethanoylamino)-3-[3-nitro-4-(2-pyrrolidin-1-ylethylamino)phenyl]propanamide

Systemtic Name: 3-(2-naphthalen-1-ylethanoylamino)-3-[3-nitro-4-(2-pyrrolidin-1-ylethylamino)phenyl]propanamide Openeye Name: 3-[[2-(1-naphthyl)acetyl]amino]-3-[3-nitro-4-(2-pyrrolidin-1-ylethylamino)phenyl]propanamide CAS Name: 3-[[2-(1-naphthalenyl)-1-oxoethyl]amino]-3-[3-nitro-4-[2-(1-pyrrolidinyl)ethylamino]phenyl]propanamide IUPAC Name: 3-[(2-naphthalen-1-ylacetyl)amino]-3-[3-nitro-4-(2-pyrrolidin-1-ylethylamino)phenyl]propanamide Traditional Name: 3-[[2-(1-naphthyl)acetyl]amino]-3-[3-nitro-4-(2-pyrrolidinoethylamino)phenyl]propionamide Formula: C27H31N5O4 MolecularWeight: 489.56614

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)CC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CCNC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)CC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C27H31N5O4/c28-26(33)18-24(30-27(34)17-20-8-5-7-19-6-1-2-9-22(19)20)21-10-11-23(25(16-21)32(35)36)29-12-15-31-13-3-4-14-31/h1-2,5-11,16,24,29H,3-4,12-15,17-18H2,(H2,28,33)(H,30,34)