2,2-diethyl-5-[4-(3-methylbutyl)-1,4-diazepan-1-yl]acenaphthylen-1-one

Systemtic Name: 2,2-diethyl-5-[4-(3-methylbutyl)-1,4-diazepan-1-yl]acenaphthylen-1-one Openeye Name: 2,2-diethyl-5-(4-isopentyl-1,4-diazepan-1-yl)acenaphthylen-1-one CAS Name: 2,2-diethyl-5-[4-(3-methylbutyl)-1,4-diazepan-1-yl]-1-acenaphthylenone IUPAC Name: 2,2-diethyl-5-[4-(3-methylbutyl)-1,4-diazepan-1-yl]acenaphthylen-1-one Traditional Name: 2,2-diethyl-5-(4-isoamyl-1,4-diazepan-1-yl)acenaphthen-1-one Formula: C26H36N2O MolecularWeight: 392.57684

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C3C(=C(C=C2)N4CCCN(CC4)CCC(C)C)C=CC=C3C1=O)CC

Isomeric SMILES

CCC1(C2=C3C(=C(C=C2)N4CCCN(CC4)CCC(C)C)C=CC=C3C1=O)CC

InChI

InChI=1S/C26H36N2O/c1-5-26(6-2)22-11-12-23(20-9-7-10-21(24(20)22)25(26)29)28-15-8-14-27(17-18-28)16-13-19(3)4/h7,9-12,19H,5-6,8,13-18H2,1-4H3