2,2-bis(phenylmethyl)-5-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]acenaphthylen-1-one

Systemtic Name: 2,2-bis(phenylmethyl)-5-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]acenaphthylen-1-one Openeye Name: 2,2-dibenzyl-5-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]acenaphthylen-1-one CAS Name: 2,2-bis(phenylmethyl)-5-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]-1-acenaphthylenone IUPAC Name: 2,2-dibenzyl-5-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]acenaphthylen-1-one Traditional Name: 2,2-dibenzyl-5-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]acenaphthen-1-one Formula: C40H40N2O MolecularWeight: 564.7584

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=C3C=CC=C4C3=C(C=C2)C(C4=O)(CC5=CC=CC=C5)CC6=CC=CC=C6)CCCC7=CC=CC=C7

Isomeric SMILES

C1CN(CCN(C1)C2=C3C=CC=C4C3=C(C=C2)C(C4=O)(CC5=CC=CC=C5)CC6=CC=CC=C6)CCCC7=CC=CC=C7

InChI

InChI=1S/C40H40N2O/c43-39-35-21-10-20-34-37(42-26-12-25-41(27-28-42)24-11-19-31-13-4-1-5-14-31)23-22-36(38(34)35)40(39,29-32-15-6-2-7-16-32)30-33-17-8-3-9-18-33/h1-10,13-18,20-23H,11-12,19,24-30H2