4-(azepan-4-yl)-N-[1-(phenylmethyl)pyrrolidin-3-yl]-5,6,7,8-tetrahydroquinazolin-2-amine

Systemtic Name: 4-(azepan-4-yl)-N-[1-(phenylmethyl)pyrrolidin-3-yl]-5,6,7,8-tetrahydroquinazolin-2-amine Openeye Name: 4-(azepan-4-yl)-N-(1-benzylpyrrolidin-3-yl)-5,6,7,8-tetrahydroquinazolin-2-amine CAS Name: 4-(4-azepanyl)-N-[1-(phenylmethyl)-3-pyrrolidinyl]-5,6,7,8-tetrahydroquinazolin-2-amine IUPAC Name: 4-(azepan-4-yl)-N-(1-benzylpyrrolidin-3-yl)-5,6,7,8-tetrahydroquinazolin-2-amine Traditional Name: [4-(azepan-4-yl)-5,6,7,8-tetrahydroquinazolin-2-yl]-(1-benzylpyrrolidin-3-yl)amine Formula: C25H35N5 MolecularWeight: 405.5789

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NC(=N2)NC3CCN(C3)CC4=CC=CC=C4)C5CCCNCC5

Isomeric SMILES

C1CCC2=C(C1)C(=NC(=N2)NC3CCN(C3)CC4=CC=CC=C4)C5CCCNCC5

InChI

InChI=1S/C25H35N5/c1-2-7-19(8-3-1)17-30-16-13-21(18-30)27-25-28-23-11-5-4-10-22(23)24(29-25)20-9-6-14-26-15-12-20/h1-3,7-8,20-21,26H,4-6,9-18H2,(H,27,28,29)