N-[[4-[(naphthalen-1-ylcarbonylamino)carbamoyl]cyclohexyl]methyl]isoquinoline-1-carboxamide

Systemtic Name: N-[[4-[(naphthalen-1-ylcarbonylamino)carbamoyl]cyclohexyl]methyl]isoquinoline-1-carboxamide Openeye Name: N-[[4-[(naphthalene-1-carbonylamino)carbamoyl]cyclohexyl]methyl]isoquinoline-1-carboxamide CAS Name: N-[[4-[[[1-naphthalenyl(oxo)methyl]hydrazo]-oxomethyl]cyclohexyl]methyl]-1-isoquinolinecarboxamide IUPAC Name: N-[[4-[(naphthalene-1-carbonylamino)carbamoyl]cyclohexyl]methyl]isoquinoline-1-carboxamide Traditional Name: N-[[4-[(1-naphthoylamino)carbamoyl]cyclohexyl]methyl]isoquinoline-1-carboxamide Formula: C29H28N4O3 MolecularWeight: 480.55762

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)C2=NC=CC3=CC=CC=C32)C(=O)NNC(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CC(CCC1CNC(=O)C2=NC=CC3=CC=CC=C32)C(=O)NNC(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C29H28N4O3/c34-27(32-33-28(35)25-11-5-8-20-6-1-3-9-23(20)25)22-14-12-19(13-15-22)18-31-29(36)26-24-10-4-2-7-21(24)16-17-30-26/h1-11,16-17,19,22H,12-15,18H2,(H,31,36)(H,32,34)(H,33,35)