3-chloranyl-1-methyl-5-phenylazanyl-4-[4-(phenylmethyl)-1,4-diazepan-1-yl]naphthalene-2-carbonitrile

Systemtic Name: 3-chloranyl-1-methyl-5-phenylazanyl-4-[4-(phenylmethyl)-1,4-diazepan-1-yl]naphthalene-2-carbonitrile Openeye Name: 5-anilino-4-(4-benzyl-1,4-diazepan-1-yl)-3-chloro-1-methyl-naphthalene-2-carbonitrile CAS Name: 5-anilino-3-chloro-1-methyl-4-[4-(phenylmethyl)-1,4-diazepan-1-yl]-2-naphthalenecarbonitrile IUPAC Name: 5-anilino-4-(4-benzyl-1,4-diazepan-1-yl)-3-chloro-1-methylnaphthalene-2-carbonitrile Traditional Name: 5-anilino-4-(4-benzyl-1,4-diazepan-1-yl)-3-chloro-1-methyl-naphthalene-2-carbonitrile Formula: C30H29ClN4 MolecularWeight: 481.03106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1C=CC=C2NC3=CC=CC=C3)N4CCCN(CC4)CC5=CC=CC=C5)Cl)C#N

Isomeric SMILES

CC1=C(C(=C(C2=C1C=CC=C2NC3=CC=CC=C3)N4CCCN(CC4)CC5=CC=CC=C5)Cl)C#N

InChI

InChI=1S/C30H29ClN4/c1-22-25-14-8-15-27(33-24-12-6-3-7-13-24)28(25)30(29(31)26(22)20-32)35-17-9-16-34(18-19-35)21-23-10-4-2-5-11-23/h2-8,10-15,33H,9,16-19,21H2,1H3