5-(3-phenylpropyl)-1,2,3,3a,10,10a-hexahydrocyclopenta[b][1,5]benzodiazepin-4-one

Systemtic Name: 5-(3-phenylpropyl)-1,2,3,3a,10,10a-hexahydrocyclopenta[b][1,5]benzodiazepin-4-one Openeye Name: 5-(3-phenylpropyl)-1,2,3,3a,10,10a-hexahydrocyclopenta[b][1,5]benzodiazepin-4-one CAS Name: 5-(3-phenylpropyl)-1,2,3,3a,10,10a-hexahydrocyclopenta[b][1,5]benzodiazepin-4-one IUPAC Name: 5-(3-phenylpropyl)-1,2,3,3a,10,10a-hexahydrocyclopenta[b][1,5]benzodiazepin-4-one Traditional Name: 5-(3-phenylpropyl)-1,2,3,3a,10,10a-hexahydrocyclopenta[b][1,5]benzodiazepin-4-one Formula: C21H24N2O MolecularWeight: 320.42806

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C1)NC3=CC=CC=C3N(C2=O)CCCC4=CC=CC=C4

Isomeric SMILES

C1CC2C(C1)NC3=CC=CC=C3N(C2=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C21H24N2O/c24-21-17-11-6-13-18(17)22-19-12-4-5-14-20(19)23(21)15-7-10-16-8-2-1-3-9-16/h1-5,8-9,12,14,17-18,22H,6-7,10-11,13,15H2